Experiment :
approximate-entrepreneur

Structure Complexes Generated

5

Combined Score

-159.965 ±4.357

Interface RMSD

1.029 ±0.613

DockQ Score

0.803 ±0.118

Docking Performance Distribution
Heavy Chain Sequence
EVQLLQSGAGAKKPGATVTISCVVSGYSYSSYYSGIDKVRQRPGHGKDCVGGIYPRSGYYTHYTEKFQGRVTYPSGKQTNNAYLQLNSVTTEDTAVYYCARPGLESFYGVGVNWSHNNSMSIGQGTLVTVSE
Light Chain Sequence
GIRITQSRASLSVSAGEPASIQARVSQSLIKGDISNYLEYYYQRKPGQPPKLFIYSASTRATGVPARLPGSGSGTDFTLTISSRDGFVGSEDFGIYYCQRVENTPPQLGQPTFDQGTKLEIKGYK
Best-Scoring Complex: mdscoring_1.pdb

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Individual Performance
model md5 caprieval_rank score irmsd fnat lrmsd ilrmsd dockq cluster-id cluster-ranking model-cluster-ranking air angles bonds bsa cdih coup dani desolv dihe elec improper rdcs rg total vdw vean xpcs
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FrankIES : Scalable, AI-Based Antibody Design Against 2025 H5N1 Avian Influenza Isolates

FrankIES (Frankie Immune Engineering Suite) is a computational pipeline for antibody engineering that integrates multiple advanced tools:

  • Diffusion: EvoDiff v1.1.0 (Docker container: cford38/evodiff:v1.1.0)
  • Folding: ESM
  • Docking: HADDOCK3 (Docker container: cford38/haddock:3)

The pipeline automates the complex process of antibody design, folding, docking, and evaluation, providing comprehensive results visualization through this interactive report.

Host System Information

Operating System: Ubuntu 22.04.5 LTS

CPU: AMD Ryzen 7 7700X 8-Core Processor

Cores: 8 physical / 16 logical

Memory: 61.89 GB

GPUs:

  • NVIDIA GeForce RTX 5090 (32607 MiB)

GPU Driver: NVIDIA Driver 575.51.02